SCHEMBL3021057

SCHEMBL3021057

C=CCNCCCCCNCC=C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.48
KDM1A O60341 4/20 0.46
SMOX Q9NWM0 1/20 0.46
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17291826 1.00 PAOX (0.48) PAOXKDM1ASMOXCNR1CNR2
SCHEMBL17291824 1.00 PAOX (0.48) PAOXKDM1ASMOXCNR1CNR2
SCHEMBL17291829 1.00 PAOX (0.48) PAOXKDM1ASMOXCNR1CNR2
SCHEMBL5611725 1.00 PAOX (0.48) PAOXKDM1ASMOXCNR1CNR2
SCHEMBL17291817 1.00 PAOX (0.48) PAOXKDM1ASMOXCNR1CNR2
SCHEMBL17291809 1.00 PAOX (0.48) PAOXKDM1ASMOXCNR1CNR2
Hydrochloric Acid SCHEMBL3027761 0.97 SMOX (0.50) PAOXKDM1ASMOXCNR1CNR2
SCHEMBL3023756 0.97 PAOX (0.50) PAOXKDM1ASMOXCNR1CNR2
Hydrochloric Acid SCHEMBL3024738 0.94 SMOX (0.52) PAOXKDM1ASMOXKDM4EALDH1A1
SCHEMBL1948513 0.90 KDM1A (0.43) PAOXKDM1ASMOXKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3168256-B1 EYEWEAR MATERIAL COMPRISING A POLYURETHANE RESIN, EYEWEAR FRAME AND LENS MITSUI CHEMICALS INC (JP) 2019-08-07 EP disclosed
EP-3037411-B1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS MITSUI CHEMICALS INC (JP) 2019-03-27 EP disclosed
EP-3168256-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS Mitsui Chemicals, Inc. (JP) 2017-05-17 EP disclosed
US-9477012-B2 1,4-bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens MITSUI CHEMICALS, INC. (JP) 2016-10-25 US disclosed
US-9475903-B2 1,4-bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens MITSUI CHEMICALS, INC. (JP) 2016-10-25 US disclosed
EP-3037411-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED PRODUCT, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS Mitsui Chemicals, Inc. (JP) 2016-06-29 EP disclosed
US-20150342276-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS MITSUI CHEMICALS, INC. (JP) 2015-12-03 US disclosed
US-20150346387-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS MITSUI CHEMICALS, INC. (JP) 2015-12-03 US disclosed
US-20100189679-A1 CROSSLINKED POLYALLYLAMINE OR ACID ADDITION SALT THEREOF, AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2010-07-29 US disclosed
EP-2168992-A1 CROSSLINKED POLYALLYLAMINE OR ACID ADDITION SALT THEREOF, AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2010-03-31 EP disclosed
US-4588806-A Polyphenylene ether resins having bimodal molecular weight distributions and method of their formation GENERAL ELECTRIC COMPANY (US) 1986-05-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100189679-A1 CROSSLINKED POLYALLYLAMINE OR ACID ADDITION SALT THEREOF, AND USE THEREOF FOR MEDICAL PURPOSES SLC6A12, SLC20A1, SLC20A2 PAOX 1263/4885KDM1A 2719/4885SMOX 575/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.